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ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylate

View entire compound with spectra: 1 NMR

ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylate
SpectraBase Compound ID 2w3N4CfDD9P
InChI InChI=1S/C17H14N10O3S/c1-2-29-16(28)12-10(27(26-22-12)15-13(18)24-30-25-15)7-31-17-20-14-11(21-23-17)8-5-3-4-6-9(8)19-14/h3-6H,2,7H2,1H3,(H2,18,24)(H,19,20,23)
InChIKey SFDYLLOFQDMMIK-UHFFFAOYSA-N
Mol Weight 438.43 g/mol
Molecular Formula C17H14N10O3S
Exact Mass 438.097106 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BlU9wvurl5a
Name ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carboxylate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C17H14N10O3S/c1-2-29-16(28)12-10(27(26-22-12)15-13(18)24-30-25-15)7-31-17-20-14-11(21-23-17)8-5-3-4-6-9(8)19-14/h3-6H,2,7H2,1H3,(H2,18,24)(H,19,20,23)
InChIKey SFDYLLOFQDMMIK-UHFFFAOYSA-N
NMR Offset 15.1248
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_3541
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: ZI/7089386; Labnumber: VUR-0000295; IOH_ID: IOH-003542
Temperature 303 °C